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CAS No.: | 2379-57-9 |
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Name: | DNQX |
Molecular Structure: | |
Formula: | C8H4N4O6 |
Molecular Weight: | 252.143 |
Synonyms: | 2,3-Quinoxalinediol,6,7-dinitro- (7CI,8CI);6,7-Dinitro-2,3-dihydroxyquinoxaline;6,7-Dinitroquinoxaline-2,3-(1H,4H)-dione;DNQX;FG 9041; |
Density: | 1.738 g/cm3 |
Melting Point: | >300 °C |
Boiling Point: | 670.7 °C at 760 mmHg |
Flash Point: | 359.4 °C |
Solubility: | Soluble in DMSO or 0.1 N NaOH. |
Appearance: | off-white powder with a yellow tinge |
PSA: | 157.36000 |
LogP: | 1.07920 |
The 2,3-Quinoxalinedione,1,4-dihydro-6,7-dinitro-, with the CAS registry number 2379-57-9, is also known as 6,7-Dinitroquinoxaline-2,3-dione. It belongs to the product categories of Heterocyclic Compounds; Neurochemicals; Glutamate Receptor; Glutamate. This chemical's molecular formula is C8H4N4O6 and molecular weight is 252.14. Its IUPAC name is called 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione. This chemical is off-white powder with a yellow tinge which can be used as potent competitive non-NMDA glutamate receptor antagonist. This chemical's classification codes are Excitatory Amino Acid Agents; Excitatory amino acid antagonists; Neurotransmitter Agents.
Physical properties of 2,3-Quinoxalinedione,1,4-dihydro-6,7-dinitro-: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 53.86 cm3; (14)Molar Volume: 145 cm3; (15)Surface Tension: 79.8 dyne/cm; (16)Density: 1.738 g/cm3; (17)Flash Point: 359.4 °C; (18)Enthalpy of Vaporization: 102.1 kJ/mol; (19)Boiling Point: 670.7 °C at 760 mmHg; (20)Vapour Pressure: 1.33E-18 mmHg at 25°C.
Preparation: this chemical can be prepared by 6,7-dinitro-1,4-dihydro-quinoxaline-2,3-dione. This reaction will need reagent POCL3, N,N-dimethylaniline. The reaction time is 90 min. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
(2)InChI: InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
(3)InChIKey: RWVIMCIPOAXUDG-UHFFFAOYSA-N